1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-imidazol-1-ylphenoxy)-1-piperonyl-proline Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1C(CN(C1C(=O)O)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H21N3O5/c26-22(27)19-10-18(30-17-4-2-16(3-5-17)24-8-7-23-13-24)12-25(19)11-15-1-6-20-21(9-15)29-14-28-20/h1-9,13,18-19H,10-12,14H2,(H,26,27)